Vitas-M small molecule compound
methyl 2-({[4-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK683705
SMILES COc1ccccc1C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C28H30N2O5S MW 506.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O5S/c1-15-22(26(32)30-27-24(28(33)35-3)17-10-5-7-14-21(17)36-27)23(16-9-4-6-13-20(16)34-2)25-18(29-15)11-8-12-19(25)31/h4,6,9,13,23,29H,5,7-8,10-12,14H2,1-3H3,(H,30,32)InChIKey
OZVKCROEGHCFHF-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CC=C3OC)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC
InChI=1SC28H30N2O5Sc11522(26(32)302724(28(33)353)1710571421(17)3627)23(169461320(16)342)2518(2915)1181219(25)31h469132329H578101214H213H3(H3032)
methyl2(((4(2methoxyphenyl)2methyl5oxo145678hexahydroquinolin3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((4(2methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD05258589
ZINC000012416448
ZINC000012416449
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